SCHEMBL13846866

SCHEMBL13846866

Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.86
PPARA Q07869 1/20 0.86
NPC1 O15118 4/20 0.81
RAB9A P51151 4/20 0.81
POLB P06746 4/20 0.81
GLS O94925 6/20 0.78
GLS2 Q9UI32 5/20 0.78
MAPT P10636 3/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
NPSR1 Q6W5P4 2/20 0.78
ALDH1A1 P00352 1/20 0.78
MAPK1 P28482 1/20 0.78
ATM Q13315 1/20 0.74
LMNA P02545 1/20 0.71
HPGD P15428 1/20 0.71
KDM4E B2RXH2 1/20 0.61
HSP90AA1 P07900 1/20 0.61
RECQL P46063 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18545405 1.00 NR1H4 (0.86) NR1H4PPARANPC1RAB9APOLB
SCHEMBL13846877 0.93 NR1H4 (1.00) NR1H4PPARANPC1RAB9APOLB
SCHEMBL8193139 0.88 RAB9A (1.00) NR1H4PPARANPC1RAB9APOLB
SCHEMBL8193149 0.88 RAB9A (1.00) NR1H4PPARANPC1RAB9APOLB
SCHEMBL1249980 0.87 POLB (0.77) NR1H4PPARANPC1RAB9APOLB
SCHEMBL12892002 0.87 POLB (0.77) NR1H4PPARANPC1RAB9APOLB
SCHEMBL1249981 0.87 POLB (0.77) NR1H4PPARANPC1RAB9APOLB
SCHEMBL14325640 0.86 RAB9A (0.68) NR1H4PPARANPC1RAB9APOLB
SCHEMBL13846851 0.83 NR1H4 (0.64) NR1H4PPARANPC1RAB9APOLB
SCHEMBL13846859 0.80 NPC1 (0.69) NR1H4PPARANPC1RAB9APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB NR1H4 391/4885PPARA 1190/4885NPC1 3787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.